smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000059489897	569605872	/nfs/dbraw/zinc/60/58/72/569605872.db2.gz	KGBZQRCLOLZNLH-UHFFFAOYSA-N	1	0	477.517	3.671	40	10		JHCBRO
COc1ccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@H]2C)cc1	ZINC000035363902	569682752	/nfs/dbraw/zinc/68/27/52/569682752.db2.gz	HORBAYPOSKXLJO-NYHHIPPXSA-N	1	0	454.611	3.731	40	10		JHCBRO
C=C1[NH+]=C(SCC(=O)Nc2ccccc2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC	ZINC000408986738	570092531	/nfs/dbraw/zinc/09/25/31/570092531.db2.gz	DHLLSXNYLIJVFC-JOCHJYFZSA-N	1	0	452.580	3.962	40	10		JHCBRO
COc1ccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@@H]43)C[C@H]2C)cc1	ZINC000061999407	569610073	/nfs/dbraw/zinc/61/00/73/569610073.db2.gz	QNAQXRSCTQFKEU-IMFPBUQOSA-N	1	0	454.611	3.733	40	10		JHCBRO
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)c([N+](=O)[O-])c1	ZINC000223274018	569905772	/nfs/dbraw/zinc/90/57/72/569905772.db2.gz	VHCISEOSCMWTBK-ZEQRLZLVSA-N	1	0	494.621	3.940	40	10		JHCBRO
CN(C)c1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000022929313	555981316	/nfs/dbraw/zinc/98/13/16/555981316.db2.gz	WSMUYDJLCPMXNZ-AREMUKBSSA-N	1	0	477.632	3.966	40	10		JHCBRO
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C	ZINC000223274805	569905813	/nfs/dbraw/zinc/90/58/13/569905813.db2.gz	RANDLQAQXISUTK-DNQXCXABSA-N	1	0	494.621	3.940	40	10		JHCBRO
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C	ZINC000223274918	569905826	/nfs/dbraw/zinc/90/58/26/569905826.db2.gz	RANDLQAQXISUTK-BJKOFHAPSA-N	1	0	494.621	3.940	40	10		JHCBRO
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)cc1	ZINC000223291173	569906405	/nfs/dbraw/zinc/90/64/05/569906405.db2.gz	NPWHXZVWBBNVQZ-RPWUZVMVSA-N	1	0	477.634	3.810	40	10		JHCBRO
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C	ZINC000223273696	569905785	/nfs/dbraw/zinc/90/57/85/569905785.db2.gz	ALCSJVLULWYCOH-BJKOFHAPSA-N	1	0	494.621	3.940	40	10		JHCBRO
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C	ZINC000223274859	569905811	/nfs/dbraw/zinc/90/58/11/569905811.db2.gz	RANDLQAQXISUTK-RPWUZVMVSA-N	1	0	494.621	3.940	40	10		JHCBRO
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)c([N+](=O)[O-])c1	ZINC000223273839	569905795	/nfs/dbraw/zinc/90/57/95/569905795.db2.gz	VHCISEOSCMWTBK-DNQXCXABSA-N	1	0	494.621	3.940	40	10		JHCBRO
C=C1[NH+]=C(SCC(=O)Nc2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC	ZINC000408986739	570092534	/nfs/dbraw/zinc/09/25/34/570092534.db2.gz	DHLLSXNYLIJVFC-QFIPXVFZSA-N	1	0	452.580	3.962	40	10		JHCBRO
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C	ZINC000223273641	569905740	/nfs/dbraw/zinc/90/57/40/569905740.db2.gz	ALCSJVLULWYCOH-RPWUZVMVSA-N	1	0	494.621	3.940	40	10		JHCBRO
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C	ZINC000223290855	569906358	/nfs/dbraw/zinc/90/63/58/569906358.db2.gz	FFLRCYAIHCCGLW-DNQXCXABSA-N	1	0	477.634	3.810	40	10		JHCBRO
C=C1[NH+]=C(SCC(=O)Nc2ccc(OC)cc2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC	ZINC000408992961	570094615	/nfs/dbraw/zinc/09/46/15/570094615.db2.gz	VGIYCUCNIBFQSG-QHCPKHFHSA-N	1	0	482.606	3.971	40	10		JHCBRO
CN(C)c1ccc(C[NH2+][C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(F)(F)F)c4)CO[C@H]23)cc1	ZINC000003841816	194363778	/nfs/dbraw/zinc/36/37/78/194363778.db2.gz	WXSVILKGJMNYCG-DOIPELPJSA-N	1	0	465.472	3.645	40	10	biogenic,in-vitro	JHCBRO
COc1ccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@@H]43)C[C@@H]2C)cc1	ZINC000061999408	569609916	/nfs/dbraw/zinc/60/99/16/569609916.db2.gz	QNAQXRSCTQFKEU-JMRSBHDGSA-N	1	0	454.611	3.733	40	10		JHCBRO
COc1ccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@@H]43)C[C@H]2C)cc1	ZINC000035363903	569682688	/nfs/dbraw/zinc/68/26/88/569682688.db2.gz	HORBAYPOSKXLJO-MELDKPOLSA-N	1	0	454.611	3.731	40	10		JHCBRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccc2c(c1)OCO2	ZINC000223272824	569905731	/nfs/dbraw/zinc/90/57/31/569905731.db2.gz	KMQHURVJKFHLCZ-DNQXCXABSA-N	1	0	463.607	3.752	40	10		JHCBRO
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)cc1	ZINC000223291224	569906382	/nfs/dbraw/zinc/90/63/82/569906382.db2.gz	NPWHXZVWBBNVQZ-BJKOFHAPSA-N	1	0	477.634	3.810	40	10		JHCBRO
CO[C@]12C[C@H](COC(=O)c3cncc(Br)c3)C[N@H+](C)[C@@H]1Cc1cn(C)c3cccc2c13	ZINC000001068640	194015324	/nfs/dbraw/zinc/01/53/24/194015324.db2.gz	YSEXMKHXIOCEJA-HXKVFGNASA-N	1	0	484.394	3.911	40	10	in-vitro	JHCBRO
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)c1	ZINC000223290610	569906390	/nfs/dbraw/zinc/90/63/90/569906390.db2.gz	YAKMNVBRDUKVOJ-DNQXCXABSA-N	1	0	477.634	3.810	40	10		JHCBRO
Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000224103212	569933252	/nfs/dbraw/zinc/93/32/52/569933252.db2.gz	ZXZJRFCLKYGWFS-BWAHOGKJSA-N	1	0	474.630	3.896	40	10		JHCBRO
C[NH+](C)CCNc1nc(Nc2cc(Cl)ccc2O)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000328966551	570179693	/nfs/dbraw/zinc/17/96/93/570179693.db2.gz	CMLWEMREZIGUNJ-UHFFFAOYSA-N	1	0	467.879	3.962	40	10		JHCBRO
CN(C)c1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000022929317	555981281	/nfs/dbraw/zinc/98/12/81/555981281.db2.gz	WSMUYDJLCPMXNZ-SANMLTNESA-N	1	0	477.632	3.966	40	10		JHCBRO
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)c([N+](=O)[O-])c1	ZINC000223273958	569905788	/nfs/dbraw/zinc/90/57/88/569905788.db2.gz	VHCISEOSCMWTBK-BJKOFHAPSA-N	1	0	494.621	3.940	40	10		JHCBRO
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C	ZINC000223290979	569906355	/nfs/dbraw/zinc/90/63/55/569906355.db2.gz	FFLRCYAIHCCGLW-BJKOFHAPSA-N	1	0	477.634	3.810	40	10		JHCBRO
C=C1[NH+]=C(SCC(=O)Nc2ccc(OC)cc2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC	ZINC000408992959	570094541	/nfs/dbraw/zinc/09/45/41/570094541.db2.gz	VGIYCUCNIBFQSG-HSZRJFAPSA-N	1	0	482.606	3.971	40	10		JHCBRO
C[NH+](C)CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1	ZINC000008820303	554707133	/nfs/dbraw/zinc/70/71/33/554707133.db2.gz	QFCZVOCBNZFNNT-XDJHFCHBSA-N	1	0	487.603	3.618	40	10		JHCBRO
C[NH+](C)CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	ZINC000008820366	554707089	/nfs/dbraw/zinc/70/70/89/554707089.db2.gz	ZAOHGRPCIFHUNU-VMGASSTCSA-N	1	0	495.626	3.801	40	10		JHCBRO
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C	ZINC000223273587	569905770	/nfs/dbraw/zinc/90/57/70/569905770.db2.gz	ALCSJVLULWYCOH-DNQXCXABSA-N	1	0	494.621	3.940	40	10		JHCBRO
C=C1[NH+]=C(SCC(=O)Nc2ccccc2OC)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC	ZINC000408990093	570093668	/nfs/dbraw/zinc/09/36/68/570093668.db2.gz	MKMWZKXDAWPXBD-QHCPKHFHSA-N	1	0	482.606	3.971	40	10		JHCBRO
COc1ccc(N2CCN(C(=O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2)cc1	ZINC000022797888	524409943	/nfs/dbraw/zinc/40/99/43/524409943.db2.gz	SKOYRHCAKHQCLN-UHFFFAOYSA-N	1	0	484.644	3.751	40	10		JHCBRO
CN(C)c1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000022929334	555981539	/nfs/dbraw/zinc/98/15/39/555981539.db2.gz	PVVMHWBRCHMXDO-RUZDIDTESA-N	1	0	463.605	3.576	40	10		JHCBRO
Cc1ccc2c(c1)[C@@]1(C(=O)N2C)[N@H+](C)C[C@H](c2ccco2)[C@]12SC(=S)N(Cc1ccco1)C2=O	ZINC000102776479	569823629	/nfs/dbraw/zinc/82/36/29/569823629.db2.gz	DZPGGQKWPDGVDA-AYCKEJKLSA-N	1	0	493.610	3.881	40	10		JHCBRO
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000409029462	570105525	/nfs/dbraw/zinc/10/55/25/570105525.db2.gz	ACNRYQJNIDPCMX-GXDHUFHOSA-N	1	0	495.408	3.848	40	10		JHCBRO
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)c([N+](=O)[O-])c1	ZINC000223273902	569905793	/nfs/dbraw/zinc/90/57/93/569905793.db2.gz	VHCISEOSCMWTBK-RPWUZVMVSA-N	1	0	494.621	3.940	40	10		JHCBRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccc2c(c1)OCO2	ZINC000223272882	569905713	/nfs/dbraw/zinc/90/57/13/569905713.db2.gz	KMQHURVJKFHLCZ-RPWUZVMVSA-N	1	0	463.607	3.752	40	10		JHCBRO
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)C[N@H+](C)[C@H]1Cc1cn(C)c3cccc2c13	ZINC000009212372	554982931	/nfs/dbraw/zinc/98/29/31/554982931.db2.gz	YSEXMKHXIOCEJA-SJODRWRQSA-N	1	0	484.394	3.911	40	10	in-vitro	JHCBRO
Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](COc3ccc(N4CC[NH2+]CC4)cc3)O2)c(Cl)c1	ZINC000028568236	556336068	/nfs/dbraw/zinc/33/60/68/556336068.db2.gz	LOUXSEJZCPKWAX-URXFXBBRSA-N	1	0	489.403	3.947	40	10	in-vitro	JHCBRO
COc1ccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@H]34)C[C@H]2C)cc1	ZINC000085907447	569716454	/nfs/dbraw/zinc/71/64/54/569716454.db2.gz	QNAQXRSCTQFKEU-ROLJIEHUSA-N	1	0	454.611	3.733	40	10		JHCBRO
NC(=[NH2+])NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc32)cc1	ZINC000005007931	554485383	/nfs/dbraw/zinc/48/53/83/554485383.db2.gz	ZBXXIEYBGSMVKQ-UHFFFAOYSA-N	1	0	493.549	3.655	40	10		JHCBRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccc2c(c1)OCO2	ZINC000223272988	569905708	/nfs/dbraw/zinc/90/57/08/569905708.db2.gz	KMQHURVJKFHLCZ-ZEQRLZLVSA-N	1	0	463.607	3.752	40	10		JHCBRO
COc1ccc(N2CCN(C(=O)c3ccc(C[NH+]4CCN(c5ccccc5)CC4)cc3)CC2)cc1	ZINC000408921691	570077328	/nfs/dbraw/zinc/07/73/28/570077328.db2.gz	VCWMEWNAKGXCSH-UHFFFAOYSA-N	1	0	470.617	3.980	40	10		JHCBRO
CN(C)c1ccc([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000022929920	555982854	/nfs/dbraw/zinc/98/28/54/555982854.db2.gz	IDOUCNXSILOLNW-AREMUKBSSA-N	1	0	459.642	3.631	40	10		JHCBRO
C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccccc12	ZINC000035851933	569716741	/nfs/dbraw/zinc/71/67/41/569716741.db2.gz	WNNPRGGVTYMKOL-LQGLAIQGSA-N	1	0	475.595	3.956	40	10		JHCBRO
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C	ZINC000223273759	569905798	/nfs/dbraw/zinc/90/57/98/569905798.db2.gz	ALCSJVLULWYCOH-ZEQRLZLVSA-N	1	0	494.621	3.940	40	10		JHCBRO
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)cc1	ZINC000223291276	569906388	/nfs/dbraw/zinc/90/63/88/569906388.db2.gz	NPWHXZVWBBNVQZ-ZEQRLZLVSA-N	1	0	477.634	3.810	40	10		JHCBRO
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)c1	ZINC000223290660	569906399	/nfs/dbraw/zinc/90/63/99/569906399.db2.gz	YAKMNVBRDUKVOJ-RPWUZVMVSA-N	1	0	477.634	3.810	40	10		JHCBRO
COc1ccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@H]34)C[C@@H]2C)cc1	ZINC000085907448	569716512	/nfs/dbraw/zinc/71/65/12/569716512.db2.gz	QNAQXRSCTQFKEU-QDIQWHTGSA-N	1	0	454.611	3.733	40	10		JHCBRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccc2c(c1)OCO2	ZINC000223272938	569905722	/nfs/dbraw/zinc/90/57/22/569905722.db2.gz	KMQHURVJKFHLCZ-BJKOFHAPSA-N	1	0	463.607	3.752	40	10		JHCBRO
Cc1ccc2c(c1)[C@@]1(C(=O)N2C)[N@H+](C)C[C@@H](c2ccco2)[C@]12SC(=S)N(Cc1ccco1)C2=O	ZINC000035855630	569716882	/nfs/dbraw/zinc/71/68/82/569716882.db2.gz	DZPGGQKWPDGVDA-RIEVBORMSA-N	1	0	493.610	3.881	40	10		JHCBRO
Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000223269833	569905556	/nfs/dbraw/zinc/90/55/56/569905556.db2.gz	DDQRMNWEEBJRNR-BWAHOGKJSA-N	1	0	474.630	3.896	40	10		JHCBRO
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)c1	ZINC000223290711	569906363	/nfs/dbraw/zinc/90/63/63/569906363.db2.gz	YAKMNVBRDUKVOJ-BJKOFHAPSA-N	1	0	477.634	3.810	40	10		JHCBRO
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C	ZINC000223291040	569906410	/nfs/dbraw/zinc/90/64/10/569906410.db2.gz	FFLRCYAIHCCGLW-ZEQRLZLVSA-N	1	0	477.634	3.810	40	10		JHCBRO
CN(C)c1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000022929337	555981553	/nfs/dbraw/zinc/98/15/53/555981553.db2.gz	PVVMHWBRCHMXDO-VWLOTQADSA-N	1	0	463.605	3.576	40	10		JHCBRO
COc1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)c(OC)c1	ZINC000022404281	555929307	/nfs/dbraw/zinc/92/93/07/555929307.db2.gz	KUWFWIZQCXUJFQ-FQEVSTJZSA-N	1	0	450.378	3.637	40	10		JHCBRO
Cc1ccc2c(c1)[C@@]1(C(=O)N2C)[N@H+](C)C[C@@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccco1)C2=O	ZINC000035855635	569716948	/nfs/dbraw/zinc/71/69/48/569716948.db2.gz	DZPGGQKWPDGVDA-WDNCENIBSA-N	1	0	493.610	3.881	40	10		JHCBRO
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C	ZINC000223274985	569905866	/nfs/dbraw/zinc/90/58/66/569905866.db2.gz	RANDLQAQXISUTK-ZEQRLZLVSA-N	1	0	494.621	3.940	40	10		JHCBRO
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)c1	ZINC000223290769	569906370	/nfs/dbraw/zinc/90/63/70/569906370.db2.gz	YAKMNVBRDUKVOJ-ZEQRLZLVSA-N	1	0	477.634	3.810	40	10		JHCBRO
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000223622318	569918211	/nfs/dbraw/zinc/91/82/11/569918211.db2.gz	RHRNANFLJNGUSD-BWAHOGKJSA-N	1	0	474.630	3.896	40	10		JHCBRO
C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12	ZINC000013135632	556366455	/nfs/dbraw/zinc/36/64/55/556366455.db2.gz	WNNPRGGVTYMKOL-OWAUWMPXSA-N	1	0	475.595	3.956	40	10		JHCBRO
C[NH+]1CCN(c2ccc(CNC(=O)/C(=C/c3cccs3)NC(=O)c3ccccc3)cc2)CC1	ZINC000223562543	569916185	/nfs/dbraw/zinc/91/61/85/569916185.db2.gz	RIVCHAYPRAAYSH-MOHJPFBDSA-N	1	0	460.603	3.587	40	10		JHCBRO
C[NH+]1CCN(c2ccc(CNC(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)cc2)CC1	ZINC000225589031	570008069	/nfs/dbraw/zinc/00/80/69/570008069.db2.gz	WEFIYCLTHLVSQA-UHFFFAOYSA-N	1	0	459.009	3.759	40	10		JHCBRO
C=C1[NH+]=C(SCC(=O)Nc2ccccc2OC)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC	ZINC000408990092	570093646	/nfs/dbraw/zinc/09/36/46/570093646.db2.gz	MKMWZKXDAWPXBD-HSZRJFAPSA-N	1	0	482.606	3.971	40	10		JHCBRO
COc1ccc(N2CCN(C(=O)c3ccc(CN4CC[NH+](Cc5ccccc5)CC4)cc3)CC2)cc1	ZINC000408920845	570076993	/nfs/dbraw/zinc/07/69/93/570076993.db2.gz	PHAABDWDIHFRMF-UHFFFAOYSA-N	1	0	484.644	3.975	40	10		JHCBRO
CN(C)c1ccc(C[NH2+][C@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]23CCC(=O)N2CCOCC2)cc1	ZINC000012490863	522211908	/nfs/dbraw/zinc/21/19/08/522211908.db2.gz	WQXZYDOAQZNPFM-LSGCGUROSA-N	1	0	471.686	3.817	40	10	biogenic,in-vitro	JHCBRO
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C	ZINC000223290922	569906394	/nfs/dbraw/zinc/90/63/94/569906394.db2.gz	FFLRCYAIHCCGLW-RPWUZVMVSA-N	1	0	477.634	3.810	40	10		JHCBRO
C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)cc2)CC1	ZINC000225777313	570020996	/nfs/dbraw/zinc/02/09/96/570020996.db2.gz	AZMRHJHMVLZYPZ-UHFFFAOYSA-N	1	0	451.640	3.551	40	10		JHCBRO
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1	ZINC000409050261	570109652	/nfs/dbraw/zinc/10/96/52/570109652.db2.gz	SZVCGXNVRQULOP-GXDHUFHOSA-N	1	0	495.408	3.848	40	10		JHCBRO
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CC[NH+](C)CC1	ZINC000408526641	570186117	/nfs/dbraw/zinc/18/61/17/570186117.db2.gz	CVJJDGGTNDBIMR-LGMDPLHJSA-N	1	0	479.972	3.701	40	10		JHCBRO
COc1ccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@@H]2C)cc1	ZINC000008791095	554684155	/nfs/dbraw/zinc/68/41/55/554684155.db2.gz	HORBAYPOSKXLJO-NZPGQAAJSA-N	1	0	454.611	3.731	40	10		JHCBRO
CN(C)c1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000022929921	555982754	/nfs/dbraw/zinc/98/27/54/555982754.db2.gz	IDOUCNXSILOLNW-SANMLTNESA-N	1	0	459.642	3.631	40	10		JHCBRO
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OCC[NH+](C)C)C2=O)cc1OC	ZINC000008819981	554706304	/nfs/dbraw/zinc/70/63/04/554706304.db2.gz	TUBQKMHLYJXZJT-CYVLTUHYSA-N	1	0	466.625	3.570	40	10		JHCBRO
COc1ccc([C@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)c(OC)c1	ZINC000022404283	555929400	/nfs/dbraw/zinc/92/94/00/555929400.db2.gz	KUWFWIZQCXUJFQ-HXUWFJFHSA-N	1	0	450.378	3.637	40	10		JHCBRO
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)cc1	ZINC000223291120	569906378	/nfs/dbraw/zinc/90/63/78/569906378.db2.gz	NPWHXZVWBBNVQZ-DNQXCXABSA-N	1	0	477.634	3.810	40	10		JHCBRO
COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000223711335	569920774	/nfs/dbraw/zinc/92/07/74/569920774.db2.gz	YKGQSSPJOCNSDW-BWAHOGKJSA-N	1	0	490.629	3.596	40	10		JHCBRO